PDB ligand accession: UGG
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XBRJTBLYIAYTOZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RGV | Download | Experimental | e5rgvA1 e5rgvA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |